# ##################################################################################################
#  Disclaimer                                                                                      #
#  This file is a python3 translation of AutoDockTools (v.1.5.7)                                   #
#  Modifications made by Valdes-Tresanco MS (https://github.com/Valdes-Tresanco-MS)                #
#  Tested by Valdes-Tresanco-MS and Valdes-Tresanco ME                                             #
#  There is no guarantee that it works like the original distribution,                             #
#  but feel free to tell us if you get any difference to correct the code.                         #
#                                                                                                  #
#  Please use this cite the original reference.                                                    #
#  If you think my work helps you, just keep this note intact on your program.                     #
#                                                                                                  #
#  Modification date: 4/7/20 5:48                                                                  #
#                                                                                                  #
# ##################################################################################################

uni_dat = {
    "TYR": {"atNameList": ['N', 'HN', 'CA', 'CB', 'CG', 'CD1', 'CE1', 'CZ', 'OH', 'HOH', 'CE2', 'CD2', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "impropTors": [['-M', 'CA', 'N', 'HN'], ['CA', '+M', 'C', 'O'], ['CB', 'CA', 'N', 'C']],
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 16, 'I': 17, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.5, 'type': 'O'},
            "HOH": {'torsion': 0.0, 'tree': 'E', 'NC': 10, 'NB': 11, 'NA': 12, 'I': 13, 'angle': 113.0, 'blen': 0.96,
                    'charge': 0.339, 'type': 'HO'},
            "CE1": {'torsion': 180.0, 'tree': 'S', 'NC': 7, 'NB': 8, 'NA': 9, 'I': 10, 'angle': 120.0, 'blen': 1.4,
                    'charge': 0.1, 'type': 'CD'},
            "CD1": {'torsion': 180.0, 'tree': 'S', 'NC': 6, 'NB': 7, 'NA': 8, 'I': 9, 'angle': 120.0, 'blen': 1.4,
                    'charge': -0.035, 'type': 'CD'},
            "HN": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                   'charge': 0.248, 'type': 'H'},
            "CZ": {'torsion': 0.0, 'tree': 'B', 'NC': 8, 'NB': 9, 'NA': 10, 'I': 11, 'angle': 120.0, 'blen': 1.4,
                   'charge': -0.121, 'type': 'C'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.52, 'type': 'N'},
            "INTX,KFORM": ['INT', '1'],
            "CG": {'torsion': 180.0, 'tree': 'S', 'NC': 4, 'NB': 6, 'NA': 7, 'I': 8, 'angle': 109.47, 'blen': 1.51,
                   'charge': -0.001, 'type': 'CA'},
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': 0.245, 'type': 'CH'},
            "CB": {'torsion': 60.0, 'tree': 'S', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 111.1, 'blen': 1.525,
                   'charge': 0.022, 'type': 'C2'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "OH": {'torsion': 180.0, 'tree': 'S', 'NC': 9, 'NB': 10, 'NA': 11, 'I': 12, 'angle': 120.0, 'blen': 1.36,
                   'charge': -0.368, 'type': 'OH'},
            "CE2": {'torsion': 0.0, 'tree': 'S', 'NC': 9, 'NB': 10, 'NA': 11, 'I': 14, 'angle': 120.0, 'blen': 1.4,
                    'charge': 0.1, 'type': 'CD'},
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 16, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.526, 'type': 'C'},
            "loopList": [['CG', 'CD2']],
            "CUT": ['0.00000'],
            "CD2": {'torsion': 0.0, 'tree': 'E', 'NC': 10, 'NB': 11, 'NA': 14, 'I': 15, 'angle': 120.0, 'blen': 1.4,
                    'charge': -0.035, 'type': 'CD'},
            "NAMRES": 'TYROSINE',
            },
    "ARG": {"impropTors": [['-M', 'CA', 'N', 'HN'], ['CA', '+M', 'C', 'O'], ['CB', 'CA', 'N', 'C'],
                           ['NE', 'NH1', 'CZ', 'NH2']],
            "NH1": {'torsion': 0.0, 'tree': 'B', 'NC': 9, 'NB': 10, 'NA': 12, 'I': 13, 'angle': 122.0, 'blen': 1.33,
                    'charge': -0.6345, 'type': 'N2'},
            "HN12": {'torsion': 180.0, 'tree': 'E', 'NC': 10, 'NB': 12, 'NA': 13, 'I': 15, 'angle': 119.8, 'blen': 1.01,
                     'charge': 0.3615, 'type': 'H3'},
            "INTX,KFORM": ['INT', '1'],
            "NE": {'torsion': 180.0, 'tree': 'B', 'NC': 7, 'NB': 8, 'NA': 9, 'I': 10, 'angle': 111.0, 'blen': 1.48,
                   'charge': -0.493, 'type': 'N2'},
            "HN11": {'torsion': 0.0, 'tree': 'E', 'NC': 10, 'NB': 12, 'NA': 13, 'I': 14, 'angle': 119.8, 'blen': 1.01,
                     'charge': 0.3615, 'type': 'H3'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.52, 'type': 'N'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "HN22": {'torsion': 180.0, 'tree': 'E', 'NC': 10, 'NB': 12, 'NA': 16, 'I': 18, 'angle': 119.8, 'blen': 1.01,
                     'charge': 0.3615, 'type': 'H3'},
            "HN21": {'torsion': 0.0, 'tree': 'E', 'NC': 10, 'NB': 12, 'NA': 16, 'I': 17, 'angle': 119.8, 'blen': 1.01,
                     'charge': 0.3615, 'type': 'H3'},
            "NAMRES": 'ARGININE',
            "atNameList": ['N', 'HN', 'CA', 'CB', 'CG', 'CD', 'NE', 'HNE', 'CZ', 'NH1', 'HN11', 'HN12', 'NH2', 'HN21',
                           'HN22', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "NH2": {'torsion': 180.0, 'tree': 'B', 'NC': 9, 'NB': 10, 'NA': 12, 'I': 16, 'angle': 118.0, 'blen': 1.33,
                    'charge': -0.6345, 'type': 'N2'},
            "HN": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                   'charge': 0.248, 'type': 'H'},
            "CZ": {'torsion': 180.0, 'tree': 'B', 'NC': 8, 'NB': 9, 'NA': 10, 'I': 12, 'angle': 123.0, 'blen': 1.33,
                   'charge': 0.813, 'type': 'CA'},
            "CD": {'torsion': 180.0, 'tree': 'S', 'NC': 6, 'NB': 7, 'NA': 8, 'I': 9, 'angle': 109.47, 'blen': 1.525,
                   'charge': 0.111, 'type': 'C2'},
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 19, 'I': 20, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.5, 'type': 'O'},
            "CG": {'torsion': 180.0, 'tree': 'S', 'NC': 4, 'NB': 6, 'NA': 7, 'I': 8, 'angle': 109.47, 'blen': 1.525,
                   'charge': 0.058, 'type': 'C2'},
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': 0.237, 'type': 'CH'},
            "CB": {'torsion': 60.0, 'tree': 'S', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 111.1, 'blen': 1.525,
                   'charge': 0.049, 'type': 'C2'},
            "HNE": {'torsion': 0.0, 'tree': 'E', 'NC': 8, 'NB': 9, 'NA': 10, 'I': 11, 'angle': 118.5, 'blen': 1.01,
                    'charge': 0.294, 'type': 'H3'},
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 19, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.526, 'type': 'C'},
            },
    "LEU": {"atNameList": ['N', 'HN', 'CA', 'CB', 'CG', 'CD1', 'CD2', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "impropTors": [['-M', 'CA', 'N', 'HN'], ['CA', '+M', 'C', 'O'], ['CB', 'CA', 'N', 'C'],
                           ['CD1', 'CG', 'CB', 'CD2']],
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 11, 'I': 12, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.5, 'type': 'O'},
            "CD2": {'torsion': 180.0, 'tree': 'E', 'NC': 6, 'NB': 7, 'NA': 8, 'I': 10, 'angle': 109.47, 'blen': 1.525,
                    'charge': -0.014, 'type': 'C3'},
            "CD1": {'torsion': 60.0, 'tree': 'E', 'NC': 6, 'NB': 7, 'NA': 8, 'I': 9, 'angle': 109.47, 'blen': 1.525,
                    'charge': -0.014, 'type': 'C3'},
            "HN": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                   'charge': 0.248, 'type': 'H'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.52, 'type': 'N'},
            "INTX,KFORM": ['INT', '1'],
            "CG": {'torsion': 180.0, 'tree': 'B', 'NC': 4, 'NB': 6, 'NA': 7, 'I': 8, 'angle': 109.47, 'blen': 1.525,
                   'charge': 0.054, 'type': 'CH'},
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': 0.204, 'type': 'CH'},
            "CB": {'torsion': 60.0, 'tree': 'S', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 111.1, 'blen': 1.525,
                   'charge': 0.016, 'type': 'C2'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 11, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.526, 'type': 'C'},
            "NAMRES": 'LEUCINE',
            },
    "RURA": {"C4": {'torsion': 0.0, 'tree': 'B', 'NC': 9, 'NB': 10, 'NA': 11, 'I': 12, 'angle': 120.78, 'blen': 1.44,
                    'charge': 0.572, 'type': 'C'},
             "C5": {'torsion': 177.3, 'tree': 'S', 'NC': 8, 'NB': 9, 'NA': 10, 'I': 11, 'angle': 121.22, 'blen': 1.34,
                    'charge': -0.204, 'type': 'CJ'},
             "C6": {'torsion': 13.45, 'tree': 'S', 'NC': 7, 'NB': 8, 'NA': 9, 'I': 10, 'angle': 123.04, 'blen': 1.37,
                    'charge': 0.366, 'type': 'CJ'},
             "O3'": {'torsion': 83.18, 'tree': 'M', 'NC': 5, 'NB': 6, 'NA': 18, 'I': 22, 'angle': 111.95, 'blen': 1.42,
                     'charge': -0.535, 'type': 'OS'},
             "O2'": {'torsion': -76.4, 'tree': 'S', 'NC': 6, 'NB': 18, 'NA': 19, 'I': 20, 'angle': 110.78, 'blen': 1.42,
                     'charge': -0.512, 'type': 'OH'},
             "C2": {'torsion': 0.0, 'tree': 'S', 'NC': 11, 'NB': 12, 'NA': 14, 'I': 16, 'angle': 126.46, 'blen': 1.38,
                    'charge': 0.896, 'type': 'C'},
             "impropTors": [["C5'", "C4'", "C3'", "O1'"], ["C4'", "C2'", "C3'", "O3'"], ["O1'", "C2'", "C1'", 'N1'],
                            ["C3'", "C1'", "C2'", "O2'"], ['N1', 'N3', 'C2', 'O2'], ['C5', 'N3', 'C4', 'O4'],
                            ['C2', 'C4', 'N3', 'H3']],
             "O1'": {'torsion': -67.74, 'tree': 'S', 'NC': 4, 'NB': 5, 'NA': 6, 'I': 7, 'angle': 108.87, 'blen': 1.46,
                     'charge': -0.413, 'type': 'OS'},
             "INTX,KFORM": ['INT', '1'],
             "O5'": {'torsion': -78.6, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 101.34, 'blen': 1.6,
                     'charge': -0.535, 'type': 'OS'},
             "N3": {'torsion': 0.0, 'tree': 'B', 'NC': 10, 'NB': 11, 'NA': 12, 'I': 14, 'angle': 114.07, 'blen': 1.38,
                    'charge': -0.758, 'type': 'NA'},
             "H3": {'torsion': 180.0, 'tree': 'E', 'NC': 11, 'NB': 12, 'NA': 14, 'I': 15, 'angle': 116.77, 'blen': 1.09,
                    'charge': 0.347, 'type': 'H'},
             "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
             "loopList": [["C1'", "C2'"], ['N1', 'C2']],
             "NAMRES": 'R-URACIL',
             "O2": {'torsion': 180.0, 'tree': 'E', 'NC': 12, 'NB': 14, 'NA': 16, 'I': 17, 'angle': 121.7, 'blen': 1.22,
                    'charge': -0.494, 'type': 'O'},
             "atNameList": ["O5'", "C5'", "C4'", "O1'", "C1'", 'N1', 'C6', 'C5', 'C4', 'O4', 'N3', 'H3', 'C2', 'O2',
                            "C3'", "C2'", "O2'", "HO2'", "O3'"],
             "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                      ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.000', '0.000', '0.000', '0.00000'],
                      ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.000', '90.000', '0.000', '0.00000']],
             "N1": {'torsion': -119.92, 'tree': 'S', 'NC': 6, 'NB': 7, 'NA': 8, 'I': 9, 'angle': 109.59, 'blen': 1.53,
                    'charge': -0.567, 'type': 'N*'},
             "CUT": ['0.00000'],
             "C2'": {'torsion': -155.28, 'tree': 'S', 'NC': 5, 'NB': 6, 'NA': 18, 'I': 19, 'angle': 102.08,
                     'blen': 1.53, 'charge': 0.082, 'type': 'CH'},
             "C4'": {'torsion': 174.9, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 6, 'angle': 110.02, 'blen': 1.52,
                     'charge': 0.197, 'type': 'CH'},
             "C5'": {'torsion': -60.18, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.02, 'blen': 1.44,
                     'charge': 0.175, 'type': 'C2'},
             "C1'": {'torsion': 144.7, 'tree': 'S', 'NC': 5, 'NB': 6, 'NA': 7, 'I': 8, 'angle': 109.84, 'blen': 1.42,
                     'charge': 0.522, 'type': 'CH'},
             "C3'": {'torsion': 48.86, 'tree': 'M', 'NC': 4, 'NB': 5, 'NA': 6, 'I': 18, 'angle': 115.82, 'blen': 1.53,
                     'charge': 0.21, 'type': 'CH'},
             "HO2'": {'torsion': 180.0, 'tree': 'E', 'NC': 18, 'NB': 19, 'NA': 20, 'I': 21, 'angle': 109.47,
                      'blen': 0.96, 'charge': 0.316, 'type': 'HO'},
             "O4": {'torsion': 180.0, 'tree': 'E', 'NC': 10, 'NB': 11, 'NA': 12, 'I': 13, 'angle': 125.35, 'blen': 1.23,
                    'charge': -0.394, 'type': 'O'},
             },
    "NME": {"N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.52, 'type': 'N'},
            "INTX,KFORM": ['INT', '1'],
            "atNameList": ['N', 'HN', 'CM'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.000', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.000', '90.000', '0.000', '0.00000']],
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "CM": {'torsion': 180.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': 0.272, 'type': 'C3'},
            "impropTors": [['-M', 'CM', 'N', 'HN']],
            "HN": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                   'charge': 0.248, 'type': 'H'},
            "CUT": ['0.00000'],
            "NAMRES": 'N-Methyl end group',
            },
    "MET": {"SD": {'torsion': 180.0, 'tree': '3', 'NC': 6, 'NB': 7, 'NA': 8, 'I': 9, 'angle': 110.0, 'blen': 1.81,
                   'charge': 0.737, 'type': 'S'},
            "atNameList": ['N', 'HN', 'CA', 'CB', 'CG', 'SD', 'CE', 'LP1', 'LP2', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "LP1": {'torsion': 80.0, 'tree': 'E', 'NC': 7, 'NB': 8, 'NA': 9, 'I': 11, 'angle': 96.7, 'blen': 0.679,
                    'charge': -0.381, 'type': 'LP'},
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 13, 'I': 14, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.5, 'type': 'O'},
            "impropTors": [['-M', 'CA', 'N', 'HN'], ['CA', '+M', 'C', 'O'], ['CB', 'CA', 'N', 'C']],
            "HN": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                   'charge': 0.248, 'type': 'H'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.52, 'type': 'N'},
            "INTX,KFORM": ['INT', '1'],
            "LP2": {'torsion': 280.0, 'tree': 'E', 'NC': 7, 'NB': 8, 'NA': 9, 'I': 12, 'angle': 96.7, 'blen': 0.679,
                    'charge': -0.381, 'type': 'LP'},
            "CG": {'torsion': 180.0, 'tree': 'S', 'NC': 4, 'NB': 6, 'NA': 7, 'I': 8, 'angle': 109.47, 'blen': 1.525,
                   'charge': 0.09, 'type': 'C2'},
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': 0.137, 'type': 'CH'},
            "CB": {'torsion': 60.0, 'tree': 'S', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 111.1, 'blen': 1.525,
                   'charge': 0.037, 'type': 'C2'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "CE": {'torsion': 180.0, 'tree': 'E', 'NC': 7, 'NB': 8, 'NA': 9, 'I': 10, 'angle': 100.0, 'blen': 1.78,
                   'charge': 0.007, 'type': 'C3'},
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 13, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.526, 'type': 'C'},
            "NAMRES": 'METHIONINE',
            },
    "IDBGEN,IREST,ITYPF": ['1', '1', '1'],
    "ALA": {"atNameList": ['N', 'HN', 'CA', 'CB', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.5, 'type': 'O'},
            "impropTors": [['-M', 'CA', 'N', 'HN'], ['CA', '+M', 'C', 'O'], ['CB', 'CA', 'N', 'C']],
            "HN": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                   'charge': 0.248, 'type': 'H'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.52, 'type': 'N'},
            "INTX,KFORM": ['INT', '1'],
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': 0.215, 'type': 'CH'},
            "CB": {'torsion': 60.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 111.1, 'blen': 1.525,
                   'charge': 0.031, 'type': 'C3'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.526, 'type': 'C'},
            "NAMRES": 'ALANINE',
            },
    "PHE": {"atNameList": ['N', 'HN', 'CA', 'CB', 'CG', 'CD1', 'CE1', 'CZ', 'CE2', 'CD2', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "impropTors": [['-M', 'CA', 'N', 'HN'], ['CA', '+M', 'C', 'O'], ['CB', 'CA', 'N', 'C']],
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 14, 'I': 15, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.5, 'type': 'O'},
            "CE1": {'torsion': 180.0, 'tree': 'S', 'NC': 7, 'NB': 8, 'NA': 9, 'I': 10, 'angle': 120.0, 'blen': 1.4,
                    'charge': 0.004, 'type': 'CD'},
            "CD1": {'torsion': 180.0, 'tree': 'S', 'NC': 6, 'NB': 7, 'NA': 8, 'I': 9, 'angle': 120.0, 'blen': 1.4,
                    'charge': -0.011, 'type': 'CD'},
            "HN": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                   'charge': 0.248, 'type': 'H'},
            "CZ": {'torsion': 0.0, 'tree': 'S', 'NC': 8, 'NB': 9, 'NA': 10, 'I': 11, 'angle': 120.0, 'blen': 1.4,
                   'charge': -0.003, 'type': 'CD'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.52, 'type': 'N'},
            "INTX,KFORM": ['INT', '1'],
            "CG": {'torsion': 180.0, 'tree': 'S', 'NC': 4, 'NB': 6, 'NA': 7, 'I': 8, 'angle': 115.0, 'blen': 1.51,
                   'charge': 0.011, 'type': 'CA'},
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': 0.214, 'type': 'CH'},
            "CB": {'torsion': 60.0, 'tree': 'S', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 111.1, 'blen': 1.525,
                   'charge': 0.038, 'type': 'C2'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "CE2": {'torsion': 0.0, 'tree': 'S', 'NC': 9, 'NB': 10, 'NA': 11, 'I': 12, 'angle': 120.0, 'blen': 1.4,
                    'charge': 0.004, 'type': 'CD'},
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 14, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.526, 'type': 'C'},
            "loopList": [['CG', 'CD2']],
            "CUT": ['0.00000'],
            "CD2": {'torsion': 0.0, 'tree': 'E', 'NC': 10, 'NB': 11, 'NA': 12, 'I': 13, 'angle': 120.0, 'blen': 1.4,
                    'charge': -0.011, 'type': 'CD'},
            "NAMRES": 'PHENYLALANINE',
            },
    "ROHE": {"INTX,KFORM": ['INT', '1'],
             "atNameList": ['O', 'H'],
             "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                      ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.000', '0.000', '0.000', '0.00000'],
                      ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.000', '90.000', '0.000', '0.00000']],
             "H": {'torsion': -39.22, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.0, 'blen': 0.96,
                   'charge': 0.226, 'type': 'HO'},
             "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
             "O": {'torsion': -78.6, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 101.43, 'blen': 1.6,
                   'charge': -0.621, 'type': 'OH'},
             "CUT": ['0.00000'],
             "NAMRES": 'R-OH END',
             },
    "NAMDBF": 'db4.dat',
    "MG": {"INTX,KFORM": ['INT', '1'],
           "atNameList": ['MG'],
           "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.0000', '0.0000', '0.0000', '0.000'],
                    ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.0000', '0.0000', '0.0000', '0.000'],
                    ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.0000', '90.0000', '0.0000', '0.000']],
           "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
           "CUT": ['0.000000'],
           "MG": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 90.0, 'blen': 1.0,
                  'charge': 2.0, 'type': 'MG'},
           "NAMRES": 'MG  PREP',
           },
    "RADE": {"C4": {'torsion': 0.0, 'tree': 'E', 'NC': 17, 'NB': 18, 'NA': 19, 'I': 20, 'angle': 110.8, 'blen': 1.35,
                    'charge': 0.695, 'type': 'CB'},
             "C5": {'torsion': 0.0, 'tree': 'S', 'NC': 9, 'NB': 10, 'NA': 11, 'I': 12, 'angle': 104.0, 'blen': 1.39,
                    'charge': -0.151, 'type': 'CB'},
             "C6": {'torsion': 180.0, 'tree': 'B', 'NC': 10, 'NB': 11, 'NA': 12, 'I': 13, 'angle': 132.42, 'blen': 1.4,
                    'charge': 0.813, 'type': 'CA'},
             "O3'": {'torsion': 83.18, 'tree': 'M', 'NC': 5, 'NB': 6, 'NA': 21, 'I': 25, 'angle': 111.95, 'blen': 1.42,
                     'charge': -0.535, 'type': 'OS'},
             "H62": {'torsion': 180.0, 'tree': 'E', 'NC': 12, 'NB': 13, 'NA': 14, 'I': 16, 'angle': 120.0, 'blen': 1.01,
                     'charge': 0.339, 'type': 'H2'},
             "O2'": {'torsion': -76.4, 'tree': 'S', 'NC': 6, 'NB': 21, 'NA': 22, 'I': 23, 'angle': 110.78, 'blen': 1.42,
                     'charge': -0.512, 'type': 'OH'},
             "C2": {'torsion': 0.0, 'tree': 'S', 'NC': 12, 'NB': 13, 'NA': 17, 'I': 18, 'angle': 118.8, 'blen': 1.33,
                    'charge': 0.571, 'type': 'CI'},
             "H61": {'torsion': 0.0, 'tree': 'E', 'NC': 12, 'NB': 13, 'NA': 14, 'I': 15, 'angle': 120.0, 'blen': 1.01,
                     'charge': 0.335, 'type': 'H2'},
             "impropTors": [["C5'", "C4'", "C3'", "O1'"], ["C4'", "C2'", "C3'", "O3'"], ["O1'", "C2'", "C1'", 'N9'],
                            ["C3'", "C1'", "C2'", "O2'"]],
             "C8": {'torsion': 13.45, 'tree': 'S', 'NC': 7, 'NB': 8, 'NA': 9, 'I': 10, 'angle': 131.2, 'blen': 1.37,
                    'charge': 0.488, 'type': 'CE'},
             "O1'": {'torsion': -67.74, 'tree': 'S', 'NC': 4, 'NB': 5, 'NA': 6, 'I': 7, 'angle': 108.87, 'blen': 1.46,
                     'charge': -0.413, 'type': 'OS'},
             "INTX,KFORM": ['INT', '1'],
             "O5'": {'torsion': -78.6, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 101.34, 'blen': 1.6,
                     'charge': -0.535, 'type': 'OS'},
             "N3": {'torsion': 0.0, 'tree': 'S', 'NC': 13, 'NB': 17, 'NA': 18, 'I': 19, 'angle': 129.17, 'blen': 1.32,
                    'charge': -0.717, 'type': 'NC'},
             "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
             "loopList": [["C1'", "C2'"], ['N9', 'C4'], ['C5', 'C4']],
             "NAMRES": 'R-ADENOSINE',
             "N7": {'torsion': 177.0, 'tree': 'S', 'NC': 8, 'NB': 9, 'NA': 10, 'I': 11, 'angle': 113.93, 'blen': 1.3,
                    'charge': -0.599, 'type': 'NB'},
             "N6": {'torsion': 0.0, 'tree': 'B', 'NC': 11, 'NB': 12, 'NA': 13, 'I': 14, 'angle': 123.5, 'blen': 1.34,
                    'charge': -0.793, 'type': 'N2'},
             "atNameList": ["O5'", "C5'", "C4'", "O1'", "C1'", 'N9', 'C8', 'N7', 'C5', 'C6', 'N6', 'H61', 'H62', 'N1',
                            'C2', 'N3', 'C4', "C3'", "C2'", "O2'", "HO2'", "O3'"],
             "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                      ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.000', '0.000', '0.000', '0.00000'],
                      ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.000', '90.000', '0.000', '0.00000']],
             "N1": {'torsion': 180.0, 'tree': 'S', 'NC': 11, 'NB': 12, 'NA': 13, 'I': 17, 'angle': 117.43, 'blen': 1.34,
                    'charge': -0.76, 'type': 'NC'},
             "C2'": {'torsion': -155.28, 'tree': 'S', 'NC': 5, 'NB': 6, 'NA': 21, 'I': 22, 'angle': 102.08,
                     'blen': 1.53, 'charge': 0.082, 'type': 'CH'},
             "C4'": {'torsion': 174.9, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 6, 'angle': 110.02, 'blen': 1.52,
                     'charge': 0.197, 'type': 'CH'},
             "N9": {'torsion': -119.92, 'tree': 'S', 'NC': 6, 'NB': 7, 'NA': 8, 'I': 9, 'angle': 109.59, 'blen': 1.52,
                    'charge': -0.457, 'type': 'N*'},
             "C5'": {'torsion': -60.18, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.02, 'blen': 1.44,
                     'charge': 0.175, 'type': 'C2'},
             "C1'": {'torsion': 144.7, 'tree': 'S', 'NC': 5, 'NB': 6, 'NA': 7, 'I': 8, 'angle': 109.84, 'blen': 1.42,
                     'charge': 0.522, 'type': 'CH'},
             "C3'": {'torsion': 48.86, 'tree': 'M', 'NC': 4, 'NB': 5, 'NA': 6, 'I': 21, 'angle': 115.82, 'blen': 1.53,
                     'charge': 0.21, 'type': 'CH'},
             "HO2'": {'torsion': 180.0, 'tree': 'E', 'NC': 21, 'NB': 22, 'NA': 23, 'I': 24, 'angle': 109.47,
                      'blen': 0.96, 'charge': 0.316, 'type': 'HO'},
             "CUT": ['0.00000'],
             },
    "DTHY": {"C4": {'torsion': 0.0, 'tree': 'B', 'NC': 9, 'NB': 10, 'NA': 11, 'I': 13, 'angle': 120.78, 'blen': 1.44,
                    'charge': 0.98, 'type': 'C'},
             "C5": {'torsion': 177.3, 'tree': 'B', 'NC': 8, 'NB': 9, 'NA': 10, 'I': 11, 'angle': 121.22, 'blen': 1.34,
                    'charge': -0.595, 'type': 'CM'},
             "C6": {'torsion': 81.59, 'tree': 'S', 'NC': 7, 'NB': 8, 'NA': 9, 'I': 10, 'angle': 123.04, 'blen': 1.37,
                    'charge': 0.551, 'type': 'CJ'},
             "C7": {'torsion': 180.0, 'tree': 'E', 'NC': 9, 'NB': 10, 'NA': 11, 'I': 12, 'angle': 121.63, 'blen': 1.5,
                    'charge': 0.097, 'type': 'C3'},
             "O3'": {'torsion': -203.47, 'tree': 'M', 'NC': 5, 'NB': 6, 'NA': 19, 'I': 21, 'angle': 116.52,
                     'blen': 1.42, 'charge': -0.535, 'type': 'OS'},
             "C2": {'torsion': 0.0, 'tree': 'S', 'NC': 11, 'NB': 13, 'NA': 15, 'I': 17, 'angle': 126.46, 'blen': 1.38,
                    'charge': 1.113, 'type': 'C'},
             "impropTors": [["C5'", "C4'", "C3'", "O1'"], ["C4'", "C2'", "C3'", "O3'"], ["O1'", "C2'", "C1'", 'N1'],
                            ['N1', 'N3', 'C2', 'O2'], ['C5', 'N3', 'C4', 'O4'], ['C2', 'C4', 'N3', 'H3']],
             "O1'": {'torsion': -86.31, 'tree': 'S', 'NC': 4, 'NB': 5, 'NA': 6, 'I': 7, 'angle': 108.86, 'blen': 1.46,
                     'charge': -0.386, 'type': 'OS'},
             "INTX,KFORM": ['INT', '1'],
             "O5'": {'torsion': -98.89, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 101.43, 'blen': 1.6,
                     'charge': -0.535, 'type': 'OS'},
             "N3": {'torsion': 0.0, 'tree': 'B', 'NC': 10, 'NB': 11, 'NA': 13, 'I': 15, 'angle': 114.07, 'blen': 1.38,
                    'charge': -1.012, 'type': 'NA'},
             "H3": {'torsion': 180.0, 'tree': 'E', 'NC': 11, 'NB': 13, 'NA': 15, 'I': 16, 'angle': 116.77, 'blen': 1.09,
                    'charge': 0.37, 'type': 'H'},
             "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
             "loopList": [["C1'", "C2'"], ['N1', 'C2']],
             "NAMRES": 'D-THYMINE',
             "O2": {'torsion': 180.0, 'tree': 'E', 'NC': 13, 'NB': 15, 'NA': 17, 'I': 18, 'angle': 121.7, 'blen': 1.22,
                    'charge': -0.529, 'type': 'O'},
             "atNameList": ["O5'", "C5'", "C4'", "O1'", "C1'", 'N1', 'C6', 'C5', 'C7', 'C4', 'O4', 'N3', 'H3', 'C2',
                            'O2', "C3'", "C2'", "O3'"],
             "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                      ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.000', '0.000', '0.000', '0.00000'],
                      ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.000', '90.000', '0.000', '0.00000']],
             "N1": {'torsion': -127.7, 'tree': 'S', 'NC': 6, 'NB': 7, 'NA': 8, 'I': 9, 'angle': 109.59, 'blen': 1.53,
                    'charge': -0.739, 'type': 'N*'},
             "CUT": ['0.00000'],
             "C2'": {'torsion': -86.3, 'tree': 'E', 'NC': 5, 'NB': 6, 'NA': 19, 'I': 20, 'angle': 102.8, 'blen': 1.53,
                     'charge': -0.047, 'type': 'C2'},
             "C4'": {'torsion': -151.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 6, 'angle': 110.0, 'blen': 1.52,
                     'charge': 0.185, 'type': 'CH'},
             "C5'": {'torsion': -39.22, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.0, 'blen': 1.44,
                     'charge': 0.153, 'type': 'C2'},
             "C1'": {'torsion': 105.6, 'tree': 'S', 'NC': 5, 'NB': 6, 'NA': 7, 'I': 8, 'angle': 110.04, 'blen': 1.42,
                     'charge': 0.5, 'type': 'CH'},
             "C3'": {'torsion': -329.11, 'tree': 'M', 'NC': 4, 'NB': 5, 'NA': 6, 'I': 19, 'angle': 115.78, 'blen': 1.53,
                     'charge': 0.172, 'type': 'CH'},
             "O4": {'torsion': 180.0, 'tree': 'E', 'NC': 10, 'NB': 11, 'NA': 13, 'I': 14, 'angle': 125.35, 'blen': 1.23,
                    'charge': -0.472, 'type': 'O'},
             },
    "DGUA": {"C4": {'torsion': 0.0, 'tree': 'E', 'NC': 15, 'NB': 17, 'NA': 21, 'I': 22, 'angle': 112.2, 'blen': 1.36,
                    'charge': 0.49, 'type': 'CB'},
             "C5": {'torsion': 0.0, 'tree': 'S', 'NC': 9, 'NB': 10, 'NA': 11, 'I': 12, 'angle': 103.9, 'blen': 1.39,
                    'charge': -0.088, 'type': 'CB'},
             "C6": {'torsion': 180.0, 'tree': 'B', 'NC': 10, 'NB': 11, 'NA': 12, 'I': 13, 'angle': 130.4, 'blen': 1.42,
                    'charge': 0.714, 'type': 'C'},
             "O3'": {'torsion': -203.47, 'tree': 'M', 'NC': 5, 'NB': 6, 'NA': 23, 'I': 25, 'angle': 116.52,
                     'blen': 1.42, 'charge': -0.535, 'type': 'OS'},
             "C2": {'torsion': -0.1, 'tree': 'B', 'NC': 12, 'NB': 13, 'NA': 15, 'I': 17, 'angle': 125.24, 'blen': 1.38,
                    'charge': 0.842, 'type': 'CA'},
             "N3": {'torsion': 0.0, 'tree': 'S', 'NC': 13, 'NB': 15, 'NA': 17, 'I': 21, 'angle': 123.3, 'blen': 1.33,
                    'charge': -0.702, 'type': 'NC'},
             "impropTors": [["C5'", "C4'", "C3'", "O1'"], ["C4'", "C2'", "C3'", "O3'"], ["O1'", "C2'", "C1'", 'N9'],
                            ['C5', 'N1', 'C6', 'O6'], ['C6', 'C2', 'N1', 'H1']],
             "C8": {'torsion': 81.59, 'tree': 'S', 'NC': 7, 'NB': 8, 'NA': 9, 'I': 10, 'angle': 129.2, 'blen': 1.38,
                    'charge': 0.428, 'type': 'CE'},
             "O1'": {'torsion': -86.31, 'tree': 'S', 'NC': 4, 'NB': 5, 'NA': 6, 'I': 7, 'angle': 108.86, 'blen': 1.46,
                     'charge': -0.386, 'type': 'OS'},
             "INTX,KFORM": ['INT', '1'],
             "O5'": {'torsion': -98.89, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 101.43, 'blen': 1.6,
                     'charge': -0.535, 'type': 'OS'},
             "H1": {'torsion': 179.9, 'tree': 'E', 'NC': 12, 'NB': 13, 'NA': 15, 'I': 16, 'angle': 117.36, 'blen': 1.0,
                    'charge': 0.34, 'type': 'H'},
             "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
             "N1": {'torsion': 180.0, 'tree': 'B', 'NC': 11, 'NB': 12, 'NA': 13, 'I': 15, 'angle': 111.38, 'blen': 1.4,
                    'charge': -0.746, 'type': 'NA'},
             "loopList": [["C1'", "C2'"], ['N9', 'C4'], ['C5', 'C4']],
             "H22": {'torsion': -179.44, 'tree': 'E', 'NC': 15, 'NB': 17, 'NA': 18, 'I': 20, 'angle': 116.53,
                     'blen': 1.01, 'charge': 0.333, 'type': 'H2'},
             "NAMRES": 'D-GUANOSINE',
             "N7": {'torsion': -179.9, 'tree': 'S', 'NC': 8, 'NB': 9, 'NA': 10, 'I': 11, 'angle': 114.0, 'blen': 1.31,
                    'charge': -0.575, 'type': 'NB'},
             "atNameList": ["O5'", "C5'", "C4'", "O1'", "C1'", 'N9', 'C8', 'N7', 'C5', 'C6', 'O6', 'N1', 'H1', 'C2',
                            'N2', 'H21', 'H22', 'N3', 'C4', "C3'", "C2'", "O3'"],
             "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                      ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.000', '0.000', '0.000', '0.00000'],
                      ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.000', '90.000', '0.000', '0.00000']],
             "N2": {'torsion': 180.0, 'tree': 'B', 'NC': 13, 'NB': 15, 'NA': 17, 'I': 18, 'angle': 116.02, 'blen': 1.34,
                    'charge': -0.758, 'type': 'N2'},
             "O6": {'torsion': 0.0, 'tree': 'E', 'NC': 11, 'NB': 12, 'NA': 13, 'I': 14, 'angle': 128.8, 'blen': 1.23,
                    'charge': -0.459, 'type': 'O'},
             "C2'": {'torsion': -86.3, 'tree': 'E', 'NC': 5, 'NB': 6, 'NA': 23, 'I': 24, 'angle': 102.8, 'blen': 1.53,
                     'charge': -0.047, 'type': 'C2'},
             "C4'": {'torsion': -151.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 6, 'angle': 110.0, 'blen': 1.52,
                     'charge': 0.185, 'type': 'CH'},
             "N9": {'torsion': -127.7, 'tree': 'S', 'NC': 6, 'NB': 7, 'NA': 8, 'I': 9, 'angle': 108.06, 'blen': 1.49,
                    'charge': -0.379, 'type': 'N*'},
             "C5'": {'torsion': -39.22, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.0, 'blen': 1.44,
                     'charge': 0.153, 'type': 'C2'},
             "C1'": {'torsion': 105.6, 'tree': 'S', 'NC': 5, 'NB': 6, 'NA': 7, 'I': 8, 'angle': 110.04, 'blen': 1.42,
                     'charge': 0.5, 'type': 'CH'},
             "H21": {'torsion': -0.82, 'tree': 'E', 'NC': 15, 'NB': 17, 'NA': 18, 'I': 19, 'angle': 127.0, 'blen': 1.01,
                     'charge': 0.324, 'type': 'H2'},
             "C3'": {'torsion': -329.11, 'tree': 'M', 'NC': 4, 'NB': 5, 'NA': 6, 'I': 23, 'angle': 115.78, 'blen': 1.53,
                     'charge': 0.172, 'type': 'CH'},
             "CUT": ['0.00000'],
             },
    "DPOM": {"INTX,KFORM": ['INT', '1'],
             "OB": {'torsion': -342.91, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 109.58, 'blen': 1.48,
                    'charge': -0.85, 'type': 'O2'},
             "atNameList": ['P', 'OA', 'OB'],
             "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                      ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.000', '0.000', '0.000', '0.00000'],
                      ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.000', '90.000', '0.000', '0.00000']],
             "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
             "CUT": ['0.00000'],
             "OA": {'torsion': -214.89, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 109.61, 'blen': 1.48,
                    'charge': -0.85, 'type': 'O2'},
             "P": {'torsion': -200.85, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 119.04, 'blen': 1.6,
                   'charge': 1.429, 'type': 'P'},
             "NAMRES": 'D - PHOSPATE MINUS',
             },
    "RGUA": {"C4": {'torsion': 0.0, 'tree': 'E', 'NC': 15, 'NB': 17, 'NA': 21, 'I': 22, 'angle': 112.2, 'blen': 1.36,
                    'charge': 0.49, 'type': 'CB'},
             "C5": {'torsion': 0.0, 'tree': 'S', 'NC': 9, 'NB': 10, 'NA': 11, 'I': 12, 'angle': 103.9, 'blen': 1.39,
                    'charge': -0.088, 'type': 'CB'},
             "C6": {'torsion': 180.0, 'tree': 'B', 'NC': 10, 'NB': 11, 'NA': 12, 'I': 13, 'angle': 130.4, 'blen': 1.42,
                    'charge': 0.714, 'type': 'C'},
             "O3'": {'torsion': 83.18, 'tree': 'M', 'NC': 5, 'NB': 6, 'NA': 23, 'I': 27, 'angle': 111.95, 'blen': 1.42,
                     'charge': -0.535, 'type': 'OS'},
             "O2'": {'torsion': -76.4, 'tree': 'S', 'NC': 6, 'NB': 23, 'NA': 24, 'I': 25, 'angle': 110.78, 'blen': 1.42,
                     'charge': -0.512, 'type': 'OH'},
             "C2": {'torsion': -0.1, 'tree': 'B', 'NC': 12, 'NB': 13, 'NA': 15, 'I': 17, 'angle': 125.24, 'blen': 1.38,
                    'charge': 0.842, 'type': 'CA'},
             "N3": {'torsion': 0.0, 'tree': 'S', 'NC': 13, 'NB': 15, 'NA': 17, 'I': 21, 'angle': 123.3, 'blen': 1.33,
                    'charge': -0.702, 'type': 'NC'},
             "impropTors": [["C5'", "C4'", "C3'", "O1'"], ["C4'", "C2'", "C3'", "O3'"], ["O1'", "C2'", "C1'", 'N9'],
                            ["C3'", "C1'", "C2'", "O2'"], ['C5', 'N1', 'C6', 'O6'], ['C6', 'C2', 'N1', 'H1']],
             "C8": {'torsion': 13.45, 'tree': 'S', 'NC': 7, 'NB': 8, 'NA': 9, 'I': 10, 'angle': 129.2, 'blen': 1.38,
                    'charge': 0.428, 'type': 'CE'},
             "O1'": {'torsion': -67.74, 'tree': 'S', 'NC': 4, 'NB': 5, 'NA': 6, 'I': 7, 'angle': 108.87, 'blen': 1.46,
                     'charge': -0.413, 'type': 'OS'},
             "INTX,KFORM": ['INT', '1'],
             "O5'": {'torsion': -78.6, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 101.34, 'blen': 1.6,
                     'charge': -0.535, 'type': 'OS'},
             "H1": {'torsion': 179.9, 'tree': 'E', 'NC': 12, 'NB': 13, 'NA': 15, 'I': 16, 'angle': 117.36, 'blen': 1.0,
                    'charge': 0.34, 'type': 'H'},
             "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
             "N1": {'torsion': 180.0, 'tree': 'B', 'NC': 11, 'NB': 12, 'NA': 13, 'I': 15, 'angle': 111.38, 'blen': 1.4,
                    'charge': -0.746, 'type': 'NA'},
             "loopList": [["C1'", "C2'"], ['N9', 'C4'], ['C5', 'C4']],
             "H22": {'torsion': -179.44, 'tree': 'E', 'NC': 15, 'NB': 17, 'NA': 18, 'I': 20, 'angle': 116.53,
                     'blen': 1.01, 'charge': 0.333, 'type': 'H2'},
             "NAMRES": 'R-GUANOSINE',
             "N7": {'torsion': -179.9, 'tree': 'S', 'NC': 8, 'NB': 9, 'NA': 10, 'I': 11, 'angle': 114.0, 'blen': 1.31,
                    'charge': -0.575, 'type': 'NB'},
             "atNameList": ["O5'", "C5'", "C4'", "O1'", "C1'", 'N9', 'C8', 'N7', 'C5', 'C6', 'O6', 'N1', 'H1', 'C2',
                            'N2', 'H21', 'H22', 'N3', 'C4', "C3'", "C2'", "O2'", "HO2'", "O3'"],
             "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                      ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.000', '0.000', '0.000', '0.00000'],
                      ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.000', '90.000', '0.000', '0.00000']],
             "N2": {'torsion': 180.0, 'tree': 'B', 'NC': 13, 'NB': 15, 'NA': 17, 'I': 18, 'angle': 116.02, 'blen': 1.34,
                    'charge': -0.758, 'type': 'N2'},
             "O6": {'torsion': 0.0, 'tree': 'E', 'NC': 11, 'NB': 12, 'NA': 13, 'I': 14, 'angle': 128.8, 'blen': 1.23,
                    'charge': -0.459, 'type': 'O'},
             "C2'": {'torsion': -155.28, 'tree': 'S', 'NC': 5, 'NB': 6, 'NA': 23, 'I': 24, 'angle': 102.08,
                     'blen': 1.53, 'charge': 0.082, 'type': 'CH'},
             "C4'": {'torsion': 174.9, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 6, 'angle': 110.02, 'blen': 1.52,
                     'charge': 0.197, 'type': 'CH'},
             "N9": {'torsion': -119.92, 'tree': 'S', 'NC': 6, 'NB': 7, 'NA': 8, 'I': 9, 'angle': 108.06, 'blen': 1.49,
                    'charge': -0.379, 'type': 'N*'},
             "C5'": {'torsion': -60.18, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.02, 'blen': 1.44,
                     'charge': 0.175, 'type': 'C2'},
             "C1'": {'torsion': 144.7, 'tree': 'S', 'NC': 5, 'NB': 6, 'NA': 7, 'I': 8, 'angle': 109.84, 'blen': 1.42,
                     'charge': 0.522, 'type': 'CH'},
             "H21": {'torsion': -0.82, 'tree': 'E', 'NC': 15, 'NB': 17, 'NA': 18, 'I': 19, 'angle': 127.0, 'blen': 1.01,
                     'charge': 0.324, 'type': 'H2'},
             "C3'": {'torsion': 48.86, 'tree': 'M', 'NC': 4, 'NB': 5, 'NA': 6, 'I': 23, 'angle': 115.82, 'blen': 1.53,
                     'charge': 0.21, 'type': 'CH'},
             "HO2'": {'torsion': 180.0, 'tree': 'E', 'NC': 23, 'NB': 24, 'NA': 25, 'I': 26, 'angle': 109.47,
                      'blen': 0.96, 'charge': 0.316, 'type': 'HO'},
             "CUT": ['0.00000'],
             },
    "TRP": {"NE1": {'torsion': 180.0, 'tree': 'B', 'NC': 7, 'NB': 8, 'NA': 9, 'I': 10, 'angle': 107.0, 'blen': 1.43,
                    'charge': -0.33, 'type': 'NA'},
            "impropTors": [['-M', 'CA', 'N', 'HN'], ['CA', '+M', 'C', 'O'], ['CB', 'CA', 'N', 'C']],
            "CH2": {'torsion': 180.0, 'tree': 'S', 'NC': 10, 'NB': 12, 'NA': 13, 'I': 14, 'angle': 116.0, 'blen': 1.39,
                    'charge': 0.034, 'type': 'CD'},
            "CZ2": {'torsion': 180.0, 'tree': 'S', 'NC': 9, 'NB': 10, 'NA': 12, 'I': 13, 'angle': 128.0, 'blen': 1.4,
                    'charge': 0.029, 'type': 'CD'},
            "INTX,KFORM": ['INT', '1'],
            "CB": {'torsion': 60.0, 'tree': 'S', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 111.1, 'blen': 1.525,
                   'charge': 0.02, 'type': 'C2'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "loopList": [['CG', 'CD2'], ['CE2', 'CD2']],
            "NAMRES": 'TRYPTOPHAN',
            "atNameList": ['N', 'HN', 'CA', 'CB', 'CG', 'CD1', 'NE1', 'HNE', 'CE2', 'CZ2', 'CH2', 'CZ3', 'CE3', 'CD2',
                           'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "CD2": {'torsion': 0.0, 'tree': 'E', 'NC': 14, 'NB': 15, 'NA': 16, 'I': 17, 'angle': 117.0, 'blen': 1.4,
                    'charge': -0.275, 'type': 'CB'},
            "CD1": {'torsion': 180.0, 'tree': 'S', 'NC': 6, 'NB': 7, 'NA': 8, 'I': 9, 'angle': 127.0, 'blen': 1.34,
                    'charge': 0.117, 'type': 'CG'},
            "CE3": {'torsion': 0.0, 'tree': 'S', 'NC': 13, 'NB': 14, 'NA': 15, 'I': 16, 'angle': 122.0, 'blen': 1.41,
                    'charge': 0.145, 'type': 'CD'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.52, 'type': 'N'},
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 18, 'I': 19, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.5, 'type': 'O'},
            "CG": {'torsion': 180.0, 'tree': 'S', 'NC': 4, 'NB': 6, 'NA': 7, 'I': 8, 'angle': 115.0, 'blen': 1.51,
                   'charge': 0.046, 'type': 'C*'},
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': 0.248, 'type': 'CH'},
            "CZ3": {'torsion': 0.0, 'tree': 'S', 'NC': 12, 'NB': 13, 'NA': 14, 'I': 15, 'angle': 121.0, 'blen': 1.35,
                    'charge': -0.082, 'type': 'CD'},
            "HN": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                   'charge': 0.248, 'type': 'H'},
            "CE2": {'torsion': 0.0, 'tree': 'S', 'NC': 8, 'NB': 9, 'NA': 10, 'I': 12, 'angle': 109.0, 'blen': 1.31,
                    'charge': 0.0, 'type': 'CN'},
            "HNE": {'torsion': 180.0, 'tree': 'E', 'NC': 8, 'NB': 9, 'NA': 10, 'I': 11, 'angle': 125.5, 'blen': 1.01,
                    'charge': 0.294, 'type': 'H'},
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 18, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.526, 'type': 'C'},
            },
    "THR": {"atNameList": ['N', 'HN', 'CA', 'CB', 'CG2', 'OG1', 'HOG', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 11, 'I': 12, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.5, 'type': 'O'},
            "impropTors": [['-M', 'CA', 'N', 'HN'], ['CA', '+M', 'C', 'O'], ['CB', 'CA', 'N', 'C'],
                           ['CG2', 'CB', 'CA', 'OG1']],
            "HN": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                   'charge': 0.248, 'type': 'H'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.52, 'type': 'N'},
            "INTX,KFORM": ['INT', '1'],
            "OG1": {'torsion': 60.0, 'tree': 'S', 'NC': 4, 'NB': 6, 'NA': 7, 'I': 9, 'angle': 109.47, 'blen': 1.43,
                    'charge': -0.55, 'type': 'OH'},
            "CG2": {'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 7, 'I': 8, 'angle': 109.47, 'blen': 1.525,
                    'charge': 0.007, 'type': 'C3'},
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': 0.268, 'type': 'CH'},
            "CB": {'torsion': 60.0, 'tree': 'B', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 111.1, 'blen': 1.525,
                   'charge': 0.211, 'type': 'CH'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 11, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.526, 'type': 'C'},
            "HOG": {'torsion': 180.0, 'tree': 'E', 'NC': 6, 'NB': 7, 'NA': 9, 'I': 10, 'angle': 109.47, 'blen': 0.96,
                    'charge': 0.31, 'type': 'HO'},
            "NAMRES": 'THREONINE',
            },
    "DCYT": {"C4": {'torsion': 0.0, 'tree': 'B', 'NC': 9, 'NB': 10, 'NA': 11, 'I': 12, 'angle': 116.9, 'blen': 1.43,
                    'charge': 0.63, 'type': 'CA'},
             "C5": {'torsion': 180.0, 'tree': 'S', 'NC': 8, 'NB': 9, 'NA': 10, 'I': 11, 'angle': 121.0, 'blen': 1.36,
                    'charge': -0.23, 'type': 'CJ'},
             "C6": {'torsion': 81.59, 'tree': 'S', 'NC': 7, 'NB': 8, 'NA': 9, 'I': 10, 'angle': 121.1, 'blen': 1.36,
                    'charge': 0.377, 'type': 'CJ'},
             "O3'": {'torsion': -203.47, 'tree': 'M', 'NC': 5, 'NB': 6, 'NA': 19, 'I': 21, 'angle': 116.52,
                     'blen': 1.42, 'charge': -0.535, 'type': 'OS'},
             "impropTors": [["C5'", "C4'", "C3'", "O1'"], ["C4'", "C2'", "C3'", "O3'"], ["O1'", "C2'", "C1'", 'N1'],
                            ['N1', 'N3', 'C2', 'O2']],
             "C2": {'torsion': 0.0, 'tree': 'S', 'NC': 11, 'NB': 12, 'NA': 16, 'I': 17, 'angle': 120.5, 'blen': 1.36,
                    'charge': 0.938, 'type': 'C'},
             "H41": {'torsion': 0.0, 'tree': 'E', 'NC': 11, 'NB': 12, 'NA': 13, 'I': 14, 'angle': 117.7, 'blen': 1.01,
                     'charge': 0.335, 'type': 'H2'},
             "H42": {'torsion': 180.0, 'tree': 'E', 'NC': 11, 'NB': 12, 'NA': 13, 'I': 15, 'angle': 120.27,
                     'blen': 1.01, 'charge': 0.338, 'type': 'H2'},
             "O1'": {'torsion': -86.31, 'tree': 'S', 'NC': 4, 'NB': 5, 'NA': 6, 'I': 7, 'angle': 108.86, 'blen': 1.46,
                     'charge': -0.386, 'type': 'OS'},
             "INTX,KFORM": ['INT', '1'],
             "O5'": {'torsion': -98.89, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 101.43, 'blen': 1.6,
                     'charge': -0.535, 'type': 'OS'},
             "N3": {'torsion': 0.0, 'tree': 'S', 'NC': 10, 'NB': 11, 'NA': 12, 'I': 16, 'angle': 121.7, 'blen': 1.33,
                    'charge': -0.791, 'type': 'NC'},
             "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
             "loopList": [["C1'", "C2'"], ['N1', 'C2']],
             "N4": {'torsion': 180.0, 'tree': 'B', 'NC': 10, 'NB': 11, 'NA': 12, 'I': 13, 'angle': 120.1, 'blen': 1.32,
                    'charge': -0.743, 'type': 'N2'},
             "NAMRES": 'D-CYTOSINE',
             "O2": {'torsion': 180.0, 'tree': 'E', 'NC': 12, 'NB': 16, 'NA': 17, 'I': 18, 'angle': 122.4, 'blen': 1.24,
                    'charge': -0.518, 'type': 'O'},
             "atNameList": ["O5'", "C5'", "C4'", "O1'", "C1'", 'N1', 'C6', 'C5', 'C4', 'N4', 'H41', 'H42', 'N3', 'C2',
                            'O2', "C3'", "C2'", "O3'"],
             "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                      ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.000', '0.000', '0.000', '0.00000'],
                      ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.000', '90.000', '0.000', '0.00000']],
             "N1": {'torsion': -127.7, 'tree': 'S', 'NC': 6, 'NB': 7, 'NA': 8, 'I': 9, 'angle': 108.1, 'blen': 1.49,
                    'charge': -0.572, 'type': 'N*'},
             "C2'": {'torsion': -86.3, 'tree': 'E', 'NC': 5, 'NB': 6, 'NA': 19, 'I': 20, 'angle': 102.8, 'blen': 1.53,
                     'charge': -0.047, 'type': 'C2'},
             "C4'": {'torsion': -151.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 6, 'angle': 110.0, 'blen': 1.52,
                     'charge': 0.185, 'type': 'CH'},
             "C5'": {'torsion': -39.22, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.0, 'blen': 1.44,
                     'charge': 0.153, 'type': 'C2'},
             "C1'": {'torsion': 105.6, 'tree': 'S', 'NC': 5, 'NB': 6, 'NA': 7, 'I': 8, 'angle': 110.04, 'blen': 1.42,
                     'charge': 0.5, 'type': 'CH'},
             "C3'": {'torsion': -329.11, 'tree': 'M', 'NC': 4, 'NB': 5, 'NA': 6, 'I': 19, 'angle': 115.78, 'blen': 1.53,
                     'charge': 0.172, 'type': 'CH'},
             "CUT": ['0.00000'],
             },
    "K": {"INTX,KFORM": ['INT', '1'],
          "atNameList": ['K'],
          "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.0000', '0.0000', '0.0000', '0.000'],
                   ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.0000', '0.0000', '0.0000', '0.000'],
                   ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.0000', '90.0000', '0.0000', '0.000']],
          "K": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 90.0, 'blen': 1.0,
                'charge': 1.0, 'type': 'SO'},
          "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
          "CUT": ['0.000000'],
          "NAMRES": 'K   PREP',
          },
    "CL": {"INTX,KFORM": ['INT', '1'],
           "atNameList": ['CL'],
           "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.0000', '0.0000', '0.0000', '0.000'],
                    ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.0000', '0.0000', '0.0000', '0.000'],
                    ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.0000', '90.0000', '0.0000', '0.000']],
           "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
           "CL": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 90.0, 'blen': 1.0,
                  'charge': -1.0, 'type': 'CL'},
           "CUT": ['0.000000'],
           "NAMRES": 'CL  PREP',
           },
    "VAL": {"atNameList": ['N', 'HN', 'CA', 'CB', 'CG1', 'CG2', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "CG1": {'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 7, 'I': 8, 'angle': 109.47, 'blen': 1.525,
                    'charge': 0.006, 'type': 'C3'},
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 10, 'I': 11, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.5, 'type': 'O'},
            "impropTors": [['-M', 'CA', 'N', 'HN'], ['CA', '+M', 'C', 'O'], ['CB', 'CA', 'N', 'C'],
                           ['CG1', 'CB', 'CA', 'CG2']],
            "HN": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                   'charge': 0.248, 'type': 'H'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.52, 'type': 'N'},
            "INTX,KFORM": ['INT', '1'],
            "CG2": {'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 7, 'I': 9, 'angle': 109.47, 'blen': 1.525,
                    'charge': 0.006, 'type': 'C3'},
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': 0.201, 'type': 'CH'},
            "CB": {'torsion': 60.0, 'tree': 'B', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 111.1, 'blen': 1.525,
                   'charge': 0.033, 'type': 'CH'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 10, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.526, 'type': 'C'},
            "NAMRES": 'VALINE',
            },
    "RCYT": {"C4": {'torsion': 0.0, 'tree': 'B', 'NC': 9, 'NB': 10, 'NA': 11, 'I': 12, 'angle': 116.9, 'blen': 1.43,
                    'charge': 0.63, 'type': 'CA'},
             "C5": {'torsion': 180.0, 'tree': 'S', 'NC': 8, 'NB': 9, 'NA': 10, 'I': 11, 'angle': 121.0, 'blen': 1.36,
                    'charge': -0.23, 'type': 'CJ'},
             "C6": {'torsion': 13.45, 'tree': 'S', 'NC': 7, 'NB': 8, 'NA': 9, 'I': 10, 'angle': 121.1, 'blen': 1.36,
                    'charge': 0.377, 'type': 'CJ'},
             "O3'": {'torsion': 83.18, 'tree': 'M', 'NC': 5, 'NB': 6, 'NA': 19, 'I': 23, 'angle': 111.95, 'blen': 1.42,
                     'charge': -0.535, 'type': 'OS'},
             "O2'": {'torsion': -76.4, 'tree': 'S', 'NC': 6, 'NB': 19, 'NA': 20, 'I': 21, 'angle': 110.78, 'blen': 1.42,
                     'charge': -0.512, 'type': 'OH'},
             "impropTors": [["C5'", "C4'", "C3'", "O1'"], ["C4'", "C2'", "C3'", "O3'"], ["O1'", "C2'", "C1'", 'N1'],
                            ["C3'", "C1'", "C2'", "O2'"], ['N1', 'N3', 'C2', 'O2']],
             "C2": {'torsion': 0.0, 'tree': 'S', 'NC': 11, 'NB': 12, 'NA': 16, 'I': 17, 'angle': 120.5, 'blen': 1.36,
                    'charge': 0.938, 'type': 'C'},
             "H41": {'torsion': 0.0, 'tree': 'E', 'NC': 11, 'NB': 12, 'NA': 13, 'I': 14, 'angle': 117.7, 'blen': 1.01,
                     'charge': 0.335, 'type': 'H2'},
             "H42": {'torsion': 180.0, 'tree': 'E', 'NC': 11, 'NB': 12, 'NA': 13, 'I': 15, 'angle': 120.27,
                     'blen': 1.01, 'charge': 0.338, 'type': 'H2'},
             "O1'": {'torsion': -67.74, 'tree': 'S', 'NC': 4, 'NB': 5, 'NA': 6, 'I': 7, 'angle': 108.87, 'blen': 1.46,
                     'charge': -0.413, 'type': 'OS'},
             "INTX,KFORM": ['INT', '1'],
             "O5'": {'torsion': -78.6, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 101.34, 'blen': 1.6,
                     'charge': -0.535, 'type': 'OS'},
             "N3": {'torsion': 0.0, 'tree': 'S', 'NC': 10, 'NB': 11, 'NA': 12, 'I': 16, 'angle': 121.7, 'blen': 1.33,
                    'charge': -0.791, 'type': 'NC'},
             "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
             "loopList": [["C1'", "C2'"], ['N1', 'C2']],
             "N4": {'torsion': 180.0, 'tree': 'B', 'NC': 10, 'NB': 11, 'NA': 12, 'I': 13, 'angle': 120.1, 'blen': 1.32,
                    'charge': -0.743, 'type': 'N2'},
             "NAMRES": 'R-CYTOSINE',
             "O2": {'torsion': 180.0, 'tree': 'E', 'NC': 12, 'NB': 16, 'NA': 17, 'I': 18, 'angle': 122.4, 'blen': 1.24,
                    'charge': -0.518, 'type': 'O'},
             "atNameList": ["O5'", "C5'", "C4'", "O1'", "C1'", 'N1', 'C6', 'C5', 'C4', 'N4', 'H41', 'H42', 'N3', 'C2',
                            'O2', "C3'", "C2'", "O2'", "HO2'", "O3'"],
             "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                      ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.000', '0.000', '0.000', '0.00000'],
                      ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.000', '90.000', '0.000', '0.00000']],
             "N1": {'torsion': -119.92, 'tree': 'S', 'NC': 6, 'NB': 7, 'NA': 8, 'I': 9, 'angle': 108.1, 'blen': 1.49,
                    'charge': -0.572, 'type': 'N*'},
             "C2'": {'torsion': -155.28, 'tree': 'S', 'NC': 5, 'NB': 6, 'NA': 19, 'I': 20, 'angle': 102.08,
                     'blen': 1.53, 'charge': 0.082, 'type': 'CH'},
             "C4'": {'torsion': 174.9, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 6, 'angle': 110.02, 'blen': 1.52,
                     'charge': 0.197, 'type': 'CH'},
             "C5'": {'torsion': -60.18, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.02, 'blen': 1.44,
                     'charge': 0.175, 'type': 'C2'},
             "C1'": {'torsion': 144.7, 'tree': 'S', 'NC': 5, 'NB': 6, 'NA': 7, 'I': 8, 'angle': 109.84, 'blen': 1.42,
                     'charge': 0.522, 'type': 'CH'},
             "C3'": {'torsion': 48.86, 'tree': 'M', 'NC': 4, 'NB': 5, 'NA': 6, 'I': 19, 'angle': 115.82, 'blen': 1.53,
                     'charge': 0.21, 'type': 'CH'},
             "HO2'": {'torsion': 180.0, 'tree': 'E', 'NC': 19, 'NB': 20, 'NA': 21, 'I': 22, 'angle': 109.47,
                      'blen': 0.96, 'charge': 0.316, 'type': 'HO'},
             "CUT": ['0.00000'],
             },
    "RPOM": {"INTX,KFORM": ['INT', '1'],
             "OB": {'torsion': -332.61, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 109.65, 'blen': 1.48,
                    'charge': -0.85, 'type': 'O2'},
             "atNameList": ['P', 'OA', 'OB'],
             "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                      ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.000', '0.000', '0.000', '0.00000'],
                      ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.000', '90.000', '0.000', '0.00000']],
             "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
             "CUT": ['0.00000'],
             "OA": {'torsion': -194.89, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 109.58, 'blen': 1.48,
                    'charge': -0.85, 'type': 'O2'},
             "P": {'torsion': -213.19, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 119.04, 'blen': 1.6,
                   'charge': 1.429, 'type': 'P'},
             "NAMRES": 'R - PHOSPHATE MINUS',
             },
    "ASN": {"ND2": {'torsion': 180.0, 'tree': 'B', 'NC': 6, 'NB': 7, 'NA': 8, 'I': 10, 'angle': 116.6, 'blen': 1.335,
                    'charge': -0.867, 'type': 'N'},
            "atNameList": ['N', 'HN', 'CA', 'CB', 'CG', 'OD1', 'ND2', 'HND1', 'HND2', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 13, 'I': 14, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.5, 'type': 'O'},
            "OD1": {'torsion': 0.0, 'tree': 'E', 'NC': 6, 'NB': 7, 'NA': 8, 'I': 9, 'angle': 120.5, 'blen': 1.229,
                    'charge': -0.47, 'type': 'O'},
            "impropTors": [['-M', 'CA', 'N', 'HN'], ['CA', '+M', 'C', 'O'], ['CB', 'CA', 'N', 'C'],
                           ['CB', 'ND2', 'CG', 'OD1'], ['CG', 'HND1', 'ND2', 'HND2']],
            "HN": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                   'charge': 0.248, 'type': 'H'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.52, 'type': 'N'},
            "INTX,KFORM": ['INT', '1'],
            "CG": {'torsion': 180.0, 'tree': 'B', 'NC': 4, 'NB': 6, 'NA': 7, 'I': 8, 'angle': 111.1, 'blen': 1.522,
                   'charge': 0.675, 'type': 'C'},
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': 0.217, 'type': 'CH'},
            "CB": {'torsion': 60.0, 'tree': 'S', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 111.1, 'blen': 1.525,
                   'charge': 0.003, 'type': 'C2'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "HND1": {'torsion': 0.0, 'tree': 'E', 'NC': 7, 'NB': 8, 'NA': 10, 'I': 11, 'angle': 119.8, 'blen': 1.01,
                     'charge': 0.344, 'type': 'H'},
            "HND2": {'torsion': 180.0, 'tree': 'E', 'NC': 7, 'NB': 8, 'NA': 10, 'I': 12, 'angle': 119.8, 'blen': 1.01,
                     'charge': 0.344, 'type': 'H'},
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 13, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.526, 'type': 'C'},
            "NAMRES": 'ASPARAGINE',
            },
    "ACE": {"INTX,KFORM": ['INT', '1'],
            "atNameList": ['CH3', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.000', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.000', '90.000', '0.000', '0.00000']],
            "CH3": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 90.0, 'blen': 1.0,
                    'charge': -0.026, 'type': 'C3'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'NOMI', 'DU', 'BEG'],
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 6, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.5, 'type': 'O'},
            "impropTors": [['CH3', '+M', 'C', 'O']],
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 111.1, 'blen': 1.53,
                  'charge': 0.526, 'type': 'C'},
            "NAMRES": 'ACE BEGINNING GROUP',
            },
    "HIE": {"atNameList": ['N', 'HN', 'CA', 'CB', 'CG', 'ND1', 'CE1', 'NE2', 'HNE', 'CD2', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "NE2": {'torsion': 0.0, 'tree': 'B', 'NC': 8, 'NB': 9, 'NA': 10, 'I': 11, 'angle': 109.0, 'blen': 1.31,
                    'charge': -0.444, 'type': 'NA'},
            "ND1": {'torsion': 180.0, 'tree': 'S', 'NC': 6, 'NB': 7, 'NA': 8, 'I': 9, 'angle': 122.0, 'blen': 1.39,
                    'charge': -0.527, 'type': 'NB'},
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 14, 'I': 15, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.5, 'type': 'O'},
            "CE1": {'torsion': 180.0, 'tree': 'S', 'NC': 7, 'NB': 8, 'NA': 9, 'I': 10, 'angle': 108.0, 'blen': 1.32,
                    'charge': 0.384, 'type': 'CP'},
            "impropTors": [['-M', 'CA', 'N', 'HN'], ['CA', '+M', 'C', 'O'], ['CB', 'CA', 'N', 'C']],
            "HN": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                   'charge': 0.248, 'type': 'H'},
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 14, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.526, 'type': 'C'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.52, 'type': 'N'},
            "INTX,KFORM": ['INT', '1'],
            "CG": {'torsion': 180.0, 'tree': 'S', 'NC': 4, 'NB': 6, 'NA': 7, 'I': 8, 'angle': 115.0, 'blen': 1.51,
                   'charge': 0.112, 'type': 'CC'},
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': 0.219, 'type': 'CH'},
            "CB": {'torsion': 60.0, 'tree': 'S', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 111.1, 'blen': 1.525,
                   'charge': 0.06, 'type': 'C2'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "loopList": [['CG', 'CD2']],
            "HNE": {'torsion': 180.0, 'tree': 'E', 'NC': 9, 'NB': 10, 'NA': 11, 'I': 12, 'angle': 125.0, 'blen': 1.01,
                    'charge': 0.32, 'type': 'H'},
            "CUT": ['0.00000'],
            "CD2": {'torsion': 0.0, 'tree': 'E', 'NC': 9, 'NB': 10, 'NA': 11, 'I': 13, 'angle': 110.0, 'blen': 1.36,
                    'charge': 0.122, 'type': 'CG'},
            "NAMRES": 'HISTIDINE EPSILONH',
            },
    "HID": {"atNameList": ['N', 'HN', 'CA', 'CB', 'CG', 'ND1', 'HND', 'CE1', 'NE2', 'CD2', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "NE2": {'torsion': 0.0, 'tree': 'S', 'NC': 8, 'NB': 9, 'NA': 11, 'I': 12, 'angle': 109.0, 'blen': 1.31,
                    'charge': -0.527, 'type': 'NB'},
            "ND1": {'torsion': 180.0, 'tree': 'B', 'NC': 6, 'NB': 7, 'NA': 8, 'I': 9, 'angle': 122.0, 'blen': 1.39,
                    'charge': -0.444, 'type': 'NA'},
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 14, 'I': 15, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.5, 'type': 'O'},
            "CE1": {'torsion': 180.0, 'tree': 'S', 'NC': 7, 'NB': 8, 'NA': 9, 'I': 11, 'angle': 108.0, 'blen': 1.32,
                    'charge': 0.384, 'type': 'CP'},
            "impropTors": [['-M', 'CA', 'N', 'HN'], ['CA', '+M', 'C', 'O'], ['CB', 'CA', 'N', 'C']],
            "HN": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                   'charge': 0.248, 'type': 'H'},
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 14, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.526, 'type': 'C'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.52, 'type': 'N'},
            "INTX,KFORM": ['INT', '1'],
            "CG": {'torsion': 180.0, 'tree': 'S', 'NC': 4, 'NB': 6, 'NA': 7, 'I': 8, 'angle': 115.0, 'blen': 1.51,
                   'charge': 0.089, 'type': 'CC'},
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': 0.219, 'type': 'CH'},
            "CB": {'torsion': 60.0, 'tree': 'S', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 111.1, 'blen': 1.525,
                   'charge': 0.06, 'type': 'C2'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "loopList": [['CG', 'CD2']],
            "HND": {'torsion': 0.0, 'tree': 'E', 'NC': 7, 'NB': 8, 'NA': 9, 'I': 10, 'angle': 126.0, 'blen': 1.01,
                    'charge': 0.32, 'type': 'H'},
            "CUT": ['0.00000'],
            "CD2": {'torsion': 0.0, 'tree': 'E', 'NC': 9, 'NB': 11, 'NA': 12, 'I': 13, 'angle': 110.0, 'blen': 1.36,
                    'charge': 0.145, 'type': 'CF'},
            "NAMRES": 'HISTIDINE DELTAH',
            },
    "filename": 'uni.in',
    "OHB": {"INTX,KFORM": ['INT', '1'],
            "atNameList": ['H', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.000', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.000', '90.000', '0.000', '0.00000']],
            "H": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 120.0, 'blen': 1.0,
                  'charge': 0.243, 'type': 'HO'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'NOMI', 'DU', 'BEG'],
            "O": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 120.0, 'blen': 0.96,
                  'charge': -0.577, 'type': 'OH'},
            "CUT": ['0.00000'],
            "NAMRES": 'OH BEGINNING',
            },
    "CYX": {"atNameList": ['N', 'HN', 'CA', 'CB', 'SG', 'LP1', 'LP2', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "SG": {'torsion': 180.0, 'tree': 'B', 'NC': 4, 'NB': 6, 'NA': 7, 'I': 8, 'angle': 116.0, 'blen': 1.81,
                   'charge': 0.824, 'type': 'S'},
            "LP1": {'torsion': 80.0, 'tree': 'E', 'NC': 6, 'NB': 7, 'NA': 8, 'I': 9, 'angle': 96.7, 'blen': 0.679,
                    'charge': -0.4045, 'type': 'LP'},
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 11, 'I': 12, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.5, 'type': 'O'},
            "impropTors": [['-M', 'CA', 'N', 'HN'], ['CA', '+M', 'C', 'O'], ['CB', 'CA', 'N', 'C']],
            "HN": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                   'charge': 0.248, 'type': 'H'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.52, 'type': 'N'},
            "INTX,KFORM": ['INT', '1'],
            "LP2": {'torsion': 280.0, 'tree': 'E', 'NC': 6, 'NB': 7, 'NA': 8, 'I': 10, 'angle': 96.7, 'blen': 0.679,
                    'charge': -0.4045, 'type': 'LP'},
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': 0.088, 'type': 'CH'},
            "CB": {'torsion': 60.0, 'tree': 'S', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 111.1, 'blen': 1.525,
                   'charge': 0.143, 'type': 'C2'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 11, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.526, 'type': 'C'},
            "NAMRES": 'CYSTINE(S-S BRIDGE)',
            },
    "PRO": {"atNameList": ['N', 'CD', 'CG', 'CB', 'CA', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "CUT": ['0.00000'],
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 8, 'NA': 9, 'I': 10, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.5, 'type': 'O'},
            "impropTors": [['CA', '+M', 'C', 'O'], ['CB', 'CA', 'N', 'C'], ['-M', 'CA', 'N', 'CD']],
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 117.0, 'blen': 1.337,
                  'charge': -0.257, 'type': 'N'},
            "INTX,KFORM": ['INT', '1'],
            "CG": {'torsion': 200.1, 'tree': 'S', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 6, 'angle': 103.2, 'blen': 1.5,
                   'charge': 0.036, 'type': 'C2'},
            "CA": {'torsion': 175.2, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 8, 'angle': 120.6, 'blen': 1.451,
                   'charge': 0.112, 'type': 'CH'},
            "CB": {'torsion': 338.3, 'tree': 'E', 'NC': 4, 'NB': 5, 'NA': 6, 'I': 7, 'angle': 106.0, 'blen': 1.51,
                   'charge': -0.001, 'type': 'C2'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "loopList": [['CB', 'CA']],
            "CD": {'torsion': 356.1, 'tree': 'S', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 126.1, 'blen': 1.458,
                   'charge': 0.084, 'type': 'C2'},
            "C": {'torsion': 0.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 8, 'I': 9, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.526, 'type': 'C'},
            "NAMRES": 'PROLINE',
            },
    "NA": {"INTX,KFORM": ['INT', '1'],
           "atNameList": ['NA'],
           "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.0000', '0.0000', '0.0000', '0.000'],
                    ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.0000', '0.0000', '0.0000', '0.000'],
                    ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.0000', '90.0000', '0.0000', '0.000']],
           "NA": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 90.0, 'blen': 1.0,
                  'charge': 1.0, 'type': 'SO'},
           "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
           "CUT": ['0.000000'],
           "NAMRES": 'NA  PREP',
           },
    "LYS": {"HNZ3": {'torsion': 300.0, 'tree': 'E', 'NC': 9, 'NB': 10, 'NA': 11, 'I': 14, 'angle': 109.47, 'blen': 1.01,
                     'charge': 0.311, 'type': 'H3'},
            "HNZ2": {'torsion': 180.0, 'tree': 'E', 'NC': 9, 'NB': 10, 'NA': 11, 'I': 13, 'angle': 109.47, 'blen': 1.01,
                     'charge': 0.311, 'type': 'H3'},
            "HNZ1": {'torsion': 60.0, 'tree': 'E', 'NC': 9, 'NB': 10, 'NA': 11, 'I': 12, 'angle': 109.47, 'blen': 1.01,
                     'charge': 0.311, 'type': 'H3'},
            "atNameList": ['N', 'HN', 'CA', 'CB', 'CG', 'CD', 'CE', 'NZ', 'HNZ1', 'HNZ2', 'HNZ3', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 15, 'I': 16, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.5, 'type': 'O'},
            "CD": {'torsion': 180.0, 'tree': 'S', 'NC': 6, 'NB': 7, 'NA': 8, 'I': 9, 'angle': 109.47, 'blen': 1.525,
                   'charge': 0.048, 'type': 'C2'},
            "impropTors": [['-M', 'CA', 'N', 'HN'], ['CA', '+M', 'C', 'O'], ['CB', 'CA', 'N', 'C']],
            "HN": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                   'charge': 0.248, 'type': 'H'},
            "NZ": {'torsion': 180.0, 'tree': '3', 'NC': 8, 'NB': 9, 'NA': 10, 'I': 11, 'angle': 109.47, 'blen': 1.47,
                   'charge': -0.272, 'type': 'N3'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.52, 'type': 'N'},
            "INTX,KFORM": ['INT', '1'],
            "CG": {'torsion': 180.0, 'tree': 'S', 'NC': 4, 'NB': 6, 'NA': 7, 'I': 8, 'angle': 109.47, 'blen': 1.525,
                   'charge': 0.053, 'type': 'C2'},
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': 0.227, 'type': 'CH'},
            "CB": {'torsion': 60.0, 'tree': 'S', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 111.1, 'blen': 1.525,
                   'charge': 0.039, 'type': 'C2'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "CE": {'torsion': 180.0, 'tree': 'S', 'NC': 7, 'NB': 8, 'NA': 9, 'I': 10, 'angle': 109.47, 'blen': 1.525,
                   'charge': 0.218, 'type': 'C2'},
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 15, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.526, 'type': 'C'},
            "NAMRES": 'LYSINE',
            },
    "SER": {"OG": {'torsion': 180.0, 'tree': 'S', 'NC': 4, 'NB': 6, 'NA': 7, 'I': 8, 'angle': 109.47, 'blen': 1.43,
                   'charge': -0.55, 'type': 'OH'},
            "atNameList": ['N', 'HN', 'CA', 'CB', 'OG', 'HOG', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 10, 'I': 11, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.5, 'type': 'O'},
            "impropTors": [['-M', 'CA', 'N', 'HN'], ['CA', '+M', 'C', 'O'], ['CB', 'CA', 'N', 'C']],
            "HN": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                   'charge': 0.248, 'type': 'H'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.52, 'type': 'N'},
            "INTX,KFORM": ['INT', '1'],
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': 0.292, 'type': 'CH'},
            "CB": {'torsion': 60.0, 'tree': 'S', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 111.1, 'blen': 1.525,
                   'charge': 0.194, 'type': 'C2'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 10, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.526, 'type': 'C'},
            "HOG": {'torsion': 180.0, 'tree': 'E', 'NC': 6, 'NB': 7, 'NA': 8, 'I': 9, 'angle': 109.47, 'blen': 0.96,
                    'charge': 0.31, 'type': 'HO'},
            "NAMRES": 'SERINE',
            },
    "ASP": {"atNameList": ['N', 'HN', 'CA', 'CB', 'CG', 'OD1', 'OD2', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 11, 'I': 12, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.5, 'type': 'O'},
            "OD1": {'torsion': 90.0, 'tree': 'E', 'NC': 6, 'NB': 7, 'NA': 8, 'I': 9, 'angle': 117.2, 'blen': 1.26,
                    'charge': -0.706, 'type': 'O2'},
            "impropTors": [['-M', 'CA', 'N', 'HN'], ['CA', '+M', 'C', 'O'], ['CB', 'CA', 'N', 'C'],
                           ['CB', 'OD1', 'CG', 'OD2']],
            "HN": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                   'charge': 0.248, 'type': 'H'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.52, 'type': 'N'},
            "INTX,KFORM": ['INT', '1'],
            "CG": {'torsion': 180.0, 'tree': 'B', 'NC': 4, 'NB': 6, 'NA': 7, 'I': 8, 'angle': 109.47, 'blen': 1.527,
                   'charge': 0.62, 'type': 'C'},
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': 0.246, 'type': 'CH'},
            "CB": {'torsion': 60.0, 'tree': 'S', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 111.1, 'blen': 1.525,
                   'charge': -0.208, 'type': 'C2'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "OD2": {'torsion': 270.0, 'tree': 'E', 'NC': 6, 'NB': 7, 'NA': 8, 'I': 10, 'angle': 117.2, 'blen': 1.26,
                    'charge': -0.706, 'type': 'O2'},
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 11, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.526, 'type': 'C'},
            "NAMRES": 'ASPARTIC ACID',
            },
    "CYS": {"atNameList": ['N', 'HN', 'CA', 'CB', 'SG', 'HSG', 'LP1', 'LP2', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "SG": {'torsion': 180.0, 'tree': '3', 'NC': 4, 'NB': 6, 'NA': 7, 'I': 8, 'angle': 116.0, 'blen': 1.81,
                   'charge': 0.827, 'type': 'SH'},
            "LP1": {'torsion': 80.0, 'tree': 'E', 'NC': 6, 'NB': 7, 'NA': 8, 'I': 10, 'angle': 96.7, 'blen': 0.679,
                    'charge': -0.481, 'type': 'LP'},
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 12, 'I': 13, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.5, 'type': 'O'},
            "impropTors": [['-M', 'CA', 'N', 'HN'], ['CA', '+M', 'C', 'O'], ['CB', 'CA', 'N', 'C']],
            "HN": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                   'charge': 0.248, 'type': 'H'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.52, 'type': 'N'},
            "INTX,KFORM": ['INT', '1'],
            "LP2": {'torsion': 280.0, 'tree': 'E', 'NC': 6, 'NB': 7, 'NA': 8, 'I': 11, 'angle': 96.7, 'blen': 0.679,
                    'charge': -0.481, 'type': 'LP'},
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': 0.146, 'type': 'CH'},
            "CB": {'torsion': 60.0, 'tree': 'S', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 111.1, 'blen': 1.525,
                   'charge': 0.1, 'type': 'C2'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "HSG": {'torsion': 180.0, 'tree': 'E', 'NC': 6, 'NB': 7, 'NA': 8, 'I': 9, 'angle': 96.0, 'blen': 1.33,
                    'charge': 0.135, 'type': 'HS'},
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 12, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.526, 'type': 'C'},
            "NAMRES": 'CYSTEINE',
            },
    "HE": {"INTX,KFORM": ['INT', '1'],
           "atNameList": ['H'],
           "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                    ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.000', '0.000', '0.000', '0.00000'],
                    ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.000', '90.000', '0.000', '0.00000']],
           "H": {'torsion': -211.37, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 114.97, 'blen': 0.96,
                 'charge': 0.313, 'type': 'HO'},
           "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
           "CUT": ['0.00000'],
           "NAMRES": 'H END',
           },
    "POHE": {"INTX,KFORM": ['INT', '1'],
             "atNameList": ['O', 'H'],
             "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                      ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.000', '0.000', '0.000', '0.00000'],
                      ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.000', '90.000', '0.000', '0.00000']],
             "H": {'torsion': -39.22, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 107.0, 'blen': 0.96,
                   'charge': 0.38, 'type': 'HO'},
             "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
             "O": {'torsion': 180.89, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 113.0, 'blen': 1.36,
                   'charge': -0.38, 'type': 'OH'},
             "CUT": ['0.00000'],
             "NAMRES": 'PROTEIN-OH END',
             },
    "GLU": {"OE1": {'torsion': 90.0, 'tree': 'E', 'NC': 7, 'NB': 8, 'NA': 9, 'I': 10, 'angle': 117.2, 'blen': 1.26,
                    'charge': -0.706, 'type': 'O2'},
            "atNameList": ['N', 'HN', 'CA', 'CB', 'CG', 'CD', 'OE1', 'OE2', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 12, 'I': 13, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.5, 'type': 'O'},
            "CD": {'torsion': 180.0, 'tree': 'B', 'NC': 6, 'NB': 7, 'NA': 8, 'I': 9, 'angle': 109.47, 'blen': 1.527,
                   'charge': 0.62, 'type': 'C'},
            "impropTors": [['-M', 'CA', 'N', 'HN'], ['CA', '+M', 'C', 'O'], ['CB', 'CA', 'N', 'C'],
                           ['CG', 'OE1', 'CD', 'OE2']],
            "HN": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                   'charge': 0.248, 'type': 'H'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.52, 'type': 'N'},
            "INTX,KFORM": ['INT', '1'],
            "CG": {'torsion': 180.0, 'tree': 'S', 'NC': 4, 'NB': 6, 'NA': 7, 'I': 8, 'angle': 109.47, 'blen': 1.51,
                   'charge': -0.208, 'type': 'C2'},
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': 0.246, 'type': 'CH'},
            "CB": {'torsion': 60.0, 'tree': 'S', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 111.1, 'blen': 1.525,
                   'charge': 0.0, 'type': 'C2'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 12, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.526, 'type': 'C'},
            "OE2": {'torsion': 270.0, 'tree': 'E', 'NC': 7, 'NB': 8, 'NA': 9, 'I': 11, 'angle': 117.2, 'blen': 1.26,
                    'charge': -0.706, 'type': 'O2'},
            "NAMRES": 'GLUTAMIC ACID',
            },
    "HB": {"INTX,KFORM": ['INT', '1'],
           "atNameList": ['H'],
           "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                    ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.000', '0.000', '0.000', '0.00000'],
                    ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.000', '90.000', '0.000', '0.00000']],
           "H": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 120.0, 'blen': 1.0,
                 'charge': 0.285, 'type': 'HO'},
           "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'NOMI', 'DU', 'BEG'],
           "CUT": ['0.00000'],
           "NAMRES": 'H BEGINNING',
           },
    "DADE": {"C4": {'torsion': 0.0, 'tree': 'E', 'NC': 17, 'NB': 18, 'NA': 19, 'I': 20, 'angle': 110.8, 'blen': 1.35,
                    'charge': 0.695, 'type': 'CB'},
             "C5": {'torsion': 0.0, 'tree': 'S', 'NC': 9, 'NB': 10, 'NA': 11, 'I': 12, 'angle': 104.0, 'blen': 1.39,
                    'charge': -0.151, 'type': 'CB'},
             "C6": {'torsion': 180.0, 'tree': 'B', 'NC': 10, 'NB': 11, 'NA': 12, 'I': 13, 'angle': 132.42, 'blen': 1.4,
                    'charge': 0.813, 'type': 'CA'},
             "O3'": {'torsion': -203.47, 'tree': 'M', 'NC': 5, 'NB': 6, 'NA': 21, 'I': 23, 'angle': 116.52,
                     'blen': 1.42, 'charge': -0.535, 'type': 'OS'},
             "H62": {'torsion': 180.0, 'tree': 'E', 'NC': 12, 'NB': 13, 'NA': 14, 'I': 16, 'angle': 120.0, 'blen': 1.01,
                     'charge': 0.339, 'type': 'H2'},
             "C2": {'torsion': 0.0, 'tree': 'S', 'NC': 12, 'NB': 13, 'NA': 17, 'I': 18, 'angle': 118.8, 'blen': 1.33,
                    'charge': 0.571, 'type': 'CI'},
             "H61": {'torsion': 0.0, 'tree': 'E', 'NC': 12, 'NB': 13, 'NA': 14, 'I': 15, 'angle': 120.0, 'blen': 1.01,
                     'charge': 0.335, 'type': 'H2'},
             "impropTors": [["C5'", "C4'", "C3'", "O1'"], ["C4'", "C2'", "C3'", "O3'"], ["O1'", "C2'", "C1'", 'N9']],
             "C8": {'torsion': 81.59, 'tree': 'S', 'NC': 7, 'NB': 8, 'NA': 9, 'I': 10, 'angle': 131.2, 'blen': 1.37,
                    'charge': 0.488, 'type': 'CE'},
             "O1'": {'torsion': -86.31, 'tree': 'S', 'NC': 4, 'NB': 5, 'NA': 6, 'I': 7, 'angle': 108.86, 'blen': 1.46,
                     'charge': -0.386, 'type': 'OS'},
             "INTX,KFORM": ['INT', '1'],
             "O5'": {'torsion': -98.89, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 101.43, 'blen': 1.6,
                     'charge': -0.535, 'type': 'OS'},
             "N3": {'torsion': 0.0, 'tree': 'S', 'NC': 13, 'NB': 17, 'NA': 18, 'I': 19, 'angle': 129.17, 'blen': 1.32,
                    'charge': -0.717, 'type': 'NC'},
             "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
             "loopList": [["C1'", "C2'"], ['N9', 'C4'], ['C5', 'C4']],
             "NAMRES": 'D-ADENOSINE',
             "N7": {'torsion': 177.0, 'tree': 'S', 'NC': 8, 'NB': 9, 'NA': 10, 'I': 11, 'angle': 113.93, 'blen': 1.3,
                    'charge': -0.599, 'type': 'NB'},
             "N6": {'torsion': 0.0, 'tree': 'B', 'NC': 11, 'NB': 12, 'NA': 13, 'I': 14, 'angle': 123.5, 'blen': 1.34,
                    'charge': -0.793, 'type': 'N2'},
             "atNameList": ["O5'", "C5'", "C4'", "O1'", "C1'", 'N9', 'C8', 'N7', 'C5', 'C6', 'N6', 'H61', 'H62', 'N1',
                            'C2', 'N3', 'C4', "C3'", "C2'", "O3'"],
             "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                      ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.000', '0.000', '0.000', '0.00000'],
                      ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.000', '90.000', '0.000', '0.00000']],
             "N1": {'torsion': 180.0, 'tree': 'S', 'NC': 11, 'NB': 12, 'NA': 13, 'I': 17, 'angle': 117.43, 'blen': 1.34,
                    'charge': -0.76, 'type': 'NC'},
             "C2'": {'torsion': -86.3, 'tree': 'E', 'NC': 5, 'NB': 6, 'NA': 21, 'I': 22, 'angle': 102.8, 'blen': 1.53,
                     'charge': -0.047, 'type': 'C2'},
             "C4'": {'torsion': -151.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 6, 'angle': 110.0, 'blen': 1.52,
                     'charge': 0.185, 'type': 'CH'},
             "N9": {'torsion': -127.7, 'tree': 'S', 'NC': 6, 'NB': 7, 'NA': 8, 'I': 9, 'angle': 109.59, 'blen': 1.52,
                    'charge': -0.457, 'type': 'N*'},
             "C5'": {'torsion': -39.22, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.0, 'blen': 1.44,
                     'charge': 0.153, 'type': 'C2'},
             "C1'": {'torsion': 105.6, 'tree': 'S', 'NC': 5, 'NB': 6, 'NA': 7, 'I': 8, 'angle': 110.04, 'blen': 1.42,
                     'charge': 0.5, 'type': 'CH'},
             "C3'": {'torsion': -329.11, 'tree': 'M', 'NC': 4, 'NB': 5, 'NA': 6, 'I': 21, 'angle': 115.78, 'blen': 1.53,
                     'charge': 0.172, 'type': 'CH'},
             "CUT": ['0.00000'],
             },
    "GLY": {"atNameList": ['N', 'HN', 'CA', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 7, 'I': 8, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.5, 'type': 'O'},
            "impropTors": [['-M', 'CA', 'N', 'HN'], ['CA', '+M', 'C', 'O']],
            "HN": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                   'charge': 0.248, 'type': 'H'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.52, 'type': 'N'},
            "INTX,KFORM": ['INT', '1'],
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': 0.246, 'type': 'C2'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 110.4, 'blen': 1.522,
                  'charge': 0.526, 'type': 'C'},
            "NAMRES": 'GLYCINE',
            },
    "HIP": {"atNameList": ['N', 'HN', 'CA', 'CB', 'CG', 'ND1', 'HND', 'CE1', 'NE2', 'HNE', 'CD2', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "NE2": {'torsion': 0.0, 'tree': 'B', 'NC': 8, 'NB': 9, 'NA': 11, 'I': 12, 'angle': 109.0, 'blen': 1.31,
                    'charge': -0.686, 'type': 'NA'},
            "ND1": {'torsion': 180.0, 'tree': 'B', 'NC': 6, 'NB': 7, 'NA': 8, 'I': 9, 'angle': 122.0, 'blen': 1.39,
                    'charge': -0.613, 'type': 'NA'},
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 15, 'I': 16, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.5, 'type': 'O'},
            "CE1": {'torsion': 180.0, 'tree': 'S', 'NC': 7, 'NB': 8, 'NA': 9, 'I': 11, 'angle': 108.0, 'blen': 1.32,
                    'charge': 0.719, 'type': 'CP'},
            "impropTors": [['-M', 'CA', 'N', 'HN'], ['CA', '+M', 'C', 'O'], ['CB', 'CA', 'N', 'C']],
            "HN": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                   'charge': 0.248, 'type': 'H'},
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 15, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.526, 'type': 'C'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.52, 'type': 'N'},
            "INTX,KFORM": ['INT', '1'],
            "CG": {'torsion': 180.0, 'tree': 'S', 'NC': 4, 'NB': 6, 'NA': 7, 'I': 8, 'angle': 115.0, 'blen': 1.51,
                   'charge': 0.103, 'type': 'CC'},
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': 0.195, 'type': 'CH'},
            "CB": {'torsion': 60.0, 'tree': 'S', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 111.1, 'blen': 1.525,
                   'charge': 0.211, 'type': 'C2'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "loopList": [['CG', 'CD2']],
            "HND": {'torsion': 0.0, 'tree': 'E', 'NC': 7, 'NB': 8, 'NA': 9, 'I': 10, 'angle': 126.0, 'blen': 1.01,
                    'charge': 0.478, 'type': 'H'},
            "HNE": {'torsion': 180.0, 'tree': 'E', 'NC': 9, 'NB': 11, 'NA': 12, 'I': 13, 'angle': 125.0, 'blen': 1.01,
                    'charge': 0.486, 'type': 'H'},
            "CUT": ['0.00000'],
            "CD2": {'torsion': 0.0, 'tree': 'E', 'NC': 9, 'NB': 11, 'NA': 12, 'I': 14, 'angle': 110.0, 'blen': 1.36,
                    'charge': 0.353, 'type': 'CG'},
            "NAMRES": 'HISTIDINE PLUS',
            },
    "GLN": {"OE1": {'torsion': 0.0, 'tree': 'E', 'NC': 7, 'NB': 8, 'NA': 9, 'I': 10, 'angle': 120.5, 'blen': 1.229,
                    'charge': -0.47, 'type': 'O'},
            "atNameList": ['N', 'HN', 'CA', 'CB', 'CG', 'CD', 'OE1', 'NE2', 'HNE1', 'HNE2', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "NE2": {'torsion': 180.0, 'tree': 'B', 'NC': 7, 'NB': 8, 'NA': 9, 'I': 11, 'angle': 116.6, 'blen': 1.335,
                    'charge': -0.867, 'type': 'N'},
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 14, 'I': 15, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.5, 'type': 'O'},
            "CD": {'torsion': 180.0, 'tree': 'B', 'NC': 6, 'NB': 7, 'NA': 8, 'I': 9, 'angle': 111.1, 'blen': 1.522,
                   'charge': 0.675, 'type': 'C'},
            "impropTors": [['-M', 'CA', 'N', 'HN'], ['CA', '+M', 'C', 'O'], ['CB', 'CA', 'N', 'C'],
                           ['CG', 'NE2', 'CD', 'OE1'], ['CD', 'HNE1', 'NE2', 'HNE2']],
            "HN": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                   'charge': 0.248, 'type': 'H'},
            "HNE2": {'torsion': 180.0, 'tree': 'E', 'NC': 8, 'NB': 9, 'NA': 11, 'I': 13, 'angle': 119.8, 'blen': 1.01,
                     'charge': 0.344, 'type': 'H'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.52, 'type': 'N'},
            "INTX,KFORM": ['INT', '1'],
            "CG": {'torsion': 180.0, 'tree': 'S', 'NC': 4, 'NB': 6, 'NA': 7, 'I': 8, 'angle': 109.47, 'blen': 1.525,
                   'charge': -0.043, 'type': 'C2'},
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': 0.21, 'type': 'CH'},
            "CB": {'torsion': 60.0, 'tree': 'S', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 111.1, 'blen': 1.525,
                   'charge': 0.053, 'type': 'C2'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "HNE1": {'torsion': 0.0, 'tree': 'E', 'NC': 8, 'NB': 9, 'NA': 11, 'I': 12, 'angle': 119.8, 'blen': 1.01,
                     'charge': 0.344, 'type': 'H'},
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 14, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.526, 'type': 'C'},
            "NAMRES": 'GLUTAMINE',
            },
    "ILE": {"atNameList": ['N', 'HN', 'CA', 'CB', 'CG2', 'CG1', 'CD1', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "impropTors": [['-M', 'CA', 'N', 'HN'], ['CA', '+M', 'C', 'O'], ['CB', 'CA', 'N', 'C'],
                           ['CG2', 'CB', 'CA', 'CG1']],
            "CG1": {'torsion': 180.0, 'tree': 'S', 'NC': 4, 'NB': 6, 'NA': 7, 'I': 9, 'angle': 109.47, 'blen': 1.525,
                    'charge': 0.017, 'type': 'C2'},
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 11, 'I': 12, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.5, 'type': 'O'},
            "CD1": {'torsion': 180.0, 'tree': 'E', 'NC': 6, 'NB': 7, 'NA': 9, 'I': 10, 'angle': 109.47, 'blen': 1.525,
                    'charge': -0.001, 'type': 'C3'},
            "HN": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                   'charge': 0.248, 'type': 'H'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.52, 'type': 'N'},
            "INTX,KFORM": ['INT', '1'],
            "CG2": {'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 7, 'I': 8, 'angle': 109.47, 'blen': 1.525,
                    'charge': 0.001, 'type': 'C3'},
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': 0.199, 'type': 'CH'},
            "CB": {'torsion': 60.0, 'tree': 'B', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.47, 'blen': 1.525,
                   'charge': 0.03, 'type': 'CH'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 11, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.526, 'type': 'C'},
            "NAMRES": 'ISOLEUCINE',
            },
    "DOHE": {"INTX,KFORM": ['INT', '1'],
             "atNameList": ['O', 'H'],
             "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                      ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.000', '0.000', '0.000', '0.00000'],
                      ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.000', '90.000', '0.000', '0.00000']],
             "H": {'torsion': -39.22, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.0, 'blen': 0.96,
                   'charge': 0.226, 'type': 'HO'},
             "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
             "O": {'torsion': -98.89, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 101.43, 'blen': 1.6,
                   'charge': -0.621, 'type': 'OH'},
             "CUT": ['0.00000'],
             "NAMRES": 'D-OH END',
             },
}
